4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine

C16H24F6N2 — CID 142488201

IUPAC4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine
SMILESFC(F)(F)C1CCN(C/C=C/CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H24F6N2/c17-15(18,19)13-3-9-23(10-4-13)7-1-2-8-24-11-5-14(6-12-24)16(20,21)22/h1-2,13-14H,3-12H2/b2-1+
InChIKeyRHJADEDOGIQDNO-OWOJBTEDSA-N
MW358.37 g/mol
LogP4.09
Rot. Bonds4

About 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine

4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine (PubChem CID 142488201) has the molecular formula C16H24F6N2 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine
PubChem CID142488201
Molecular FormulaC16H24F6N2
Molecular Weight358.37 g/mol
Exact Mass358.18
IUPAC Name4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine
SMILESFC(F)(F)C1CCN(C/C=C/CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H24F6N2/c17-15(18,19)13-3-9-23(10-4-13)7-1-2-8-24-11-5-14(6-12-24)16(20,21)22/h1-2,13-14H,3-12H2/b2-1+
InChIKeyRHJADEDOGIQDNO-OWOJBTEDSA-N
XLogP4.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine?
The IUPAC name of 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine (CID 142488201) is 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine.
What is the SMILES notation for 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine?
The canonical SMILES for 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine is FC(F)(F)C1CCN(C/C=C/CN2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine?
The InChIKey is RHJADEDOGIQDNO-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H24F6N2/c17-15(18,19)13-3-9-23(10-4-13)7-1-2-8-24-11-5-14(6-12-24)16(20,21)22/h1-2,13-14H,3-12H2/b2-1+.
What are the key properties of 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine?
4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine has a molecular weight of 358.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine is sourced from PubChem (CID 142488201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).